6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
C158H183N23O4S3 — CID 158161486
Data last refreshed: (MolForge compound catalog, from PubChem)
IUPAC6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
SMILESCC(C)c1c[nH]c2ncccc12.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1
InChIInChI=1S/2C12H13N.C11H12N2.C11H13N.3C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C8H11N.C7H10O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h2*3-9H,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3
InChIKeyFWIBBVWGPVFALE-UHFFFAOYSA-N
MW2564.56 g/mol
LogP45.41
Rot. Bonds16
About 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine (PubChem CID 158161486) has the molecular formula C158H183N23O4S3 and a molecular weight of 2564.56 g/mol. Its IUPAC name is 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine.
Molecular Properties
| Compound Name | 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine |
|---|---|
| PubChem CID | 158161486 |
| Molecular Formula | C158H183N23O4S3 |
| Molecular Weight | 2564.56 g/mol |
| Exact Mass | 2562.40 |
| IUPAC Name | 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine |
| SMILES | CC(C)c1c[nH]c2ncccc12.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1 |
| InChI | InChI=1S/2C12H13N.C11H12N2.C11H13N.3C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C8H11N.C7H10O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h2*3-9H,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3 |
| InChIKey | FWIBBVWGPVFALE-UHFFFAOYSA-N |
| XLogP | 45.41 |
| TPSA | 363.53 Ų |
| H-Bond Donors | 5 |
| H-Bond Acceptors | 25 |
| Rotatable Bonds | 16 |
| Heavy Atoms | 188 |
| Complexity | — |
Lipinski Rule of Five
3 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 2564.56 |
| LogP ≤ 5 | 45.41 |
| H-Bond Donors ≤ 5 | 5 |
| H-Bond Acceptors ≤ 10 | 25 |
Frequently Asked Questions
What is the IUPAC name of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The IUPAC name of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine (CID 158161486) is 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine.
What is the SMILES notation for 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The canonical SMILES for 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine is CC(C)c1c[nH]c2ncccc12.CC(C)c1cc2cccnc2[nH]1.CC(C)c1cc2cccnc2o1.CC(C)c1cc2cccnc2s1.CC(C)c1ccc2cc[nH]c2c1.CC(C)c1ccc2nc[nH]c2c1.CC(C)c1ccc2ncccc2c1.CC(C)c1ccc2ncoc2c1.CC(C)c1ccc2ncsc2c1.CC(C)c1ccco1.CC(C)c1ccncc1.CC(C)c1cnc2ccccc2c1.CC(C)c1cnc2ncccc2c1.CC(C)c1nc2cccnc2o1.CC(C)c1nc2cccnc2s1.CC(C)c1nc2ncccc2[nH]1.
What is the InChIKey of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
The InChIKey is FWIBBVWGPVFALE-UHFFFAOYSA-N. The full InChI is InChI=1S/2C12H13N.C11H12N2.C11H13N.3C10H12N2.2C10H11NO.2C10H11NS.C9H11N3.C9H10N2O.C9H10N2S.C8H11N.C7H10O/c1-9(2)10-5-6-12-11(8-10)4-3-7-13-12;1-9(2)11-7-10-5-3-4-6-12(10)13-8-11;1-8(2)10-6-9-4-3-5-12-11(9)13-7-10;1-8(2)10-4-3-9-5-6-12-11(9)7-10;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-12-10-8(9)4-3-5-11-10;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;1-7(2)8-3-4-9-10(5-8)12-6-11-9;1-7(2)9-6-8-4-3-5-11-10(8)12-9;3*1-6(2)8-11-7-4-3-5-10-9(7)12-8;1-7(2)8-3-5-9-6-4-8;1-6(2)7-4-3-5-8-7/h2*3-9H,1-2H3;3-8H,1-2H3;3-8,12H,1-2H3;3*3-7H,1-2H3,(H,11,12);4*3-7H,1-2H3;3-6H,1-2H3,(H,10,11,12);2*3-6H,1-2H3;3-7H,1-2H3;3-6H,1-2H3.
What are the key properties of 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine?
6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine has a molecular weight of 2564.56 g/mol, XLogP of 45.41, 16 rotatable bonds, 5 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 6-propan-2-yl-1H-benzimidazole;6-propan-2-yl-1,3-benzothiazole;6-propan-2-yl-1,3-benzoxazole;2-propan-2-ylfuran;2-propan-2-ylfuro[2,3-b]pyridine;2-propan-2-yl-1H-imidazo[4,5-b]pyridine;6-propan-2-yl-1H-indole;3-propan-2-yl-1,8-naphthyridine;2-propan-2-yl-[1,3]oxazolo[5,4-b]pyridine;4-propan-2-ylpyridine;2-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-yl-1H-pyrrolo[2,3-b]pyridine;3-propan-2-ylquinoline;6-propan-2-ylquinoline;2-propan-2-yl-[1,3]thiazolo[5,4-b]pyridine;2-propan-2-ylthieno[2,3-b]pyridine is sourced from PubChem (CID 158161486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).
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Sources
- PubChem CID 158161486 — identifiers, structure, computed properties (public domain)
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